CID 365651

2-(pyridin-2-yl)propane-1,3-diol

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

C1=CC=NC(=C1)C(CO)CO

InChI

InChI=1S/C8H11NO2/c10-5-7(6-11)8-3-1-2-4-9-8/h1-4,7,10-11H,5-6H2

InChIKey

JGXRFQKRGPKWPP-UHFFFAOYSA-N

Compound name

2-pyridin-2-ylpropane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 110
Patents: 153.07898 Da
Monoisotopic Mass: -0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	154.08626	131.7
[M+Na]+	176.06820	143.3
[M+NH4]+	171.11280	139.3
[M+K]+	192.04214	138.1
[M-H]-	152.07170	132.0
[M+Na-2H]-	174.05365	137.8
[M]+	153.07843	133.2
[M]-	153.07953	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe